Geometry & MOs

Info

ID:	59114
PubChem CID:	24771027
Reduced:	ClO3N6C24H25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	424.198966
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	5.87
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-4-[2-chloro-6-(3,3-dimethylbutylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations